2-[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]isoindolin-1-one CAS Name: 2-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-1-benzyl-2-keto-2-[4-(2-pyridyl)piperazino]ethyl]isoindolin-1-one Formula: C26H26N4O2 MolecularWeight: 426.51024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)[C@H](CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H26N4O2/c31-25-22-11-5-4-10-21(22)19-30(25)23(18-20-8-2-1-3-9-20)26(32)29-16-14-28(15-17-29)24-12-6-7-13-27-24/h1-13,23H,14-19H2/t23-/m0/s1